Geometry & MOs

Info

ID:

428391

PubChem CID:

135167185

Reduced:

N2H44C67 (1)

Stoich.:

A2B44C67 (1)

Weight, g/mol:

1041.408299

ΔHf, kcal/mol:

296.52

Dipole, Da:

1.06

IP(EA), eV:

 -8.08(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations